compound 20 [PMID: 20299227]

Ligand id: 3133

Name: compound 20 [PMID: 20299227]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 10
Topological polar surface area 245.58
Molecular weight 472.01
XLogP -1.72
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Lolli ML, Rolando B, Tosco P, Chaurasia S, Di Stilo A, Lazzarato L, Gorassini E, Ferracini R, Oliaro-Bosso S, Fruttero R et al.. (2010)
Synthesis and preliminary pharmacological characterisation of a new class of nitrogen-containing bisphosphonates (N-BPs).
Bioorg. Med. Chem., 18 (7): 2428-38. [PMID:20299227]